N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-[4-cyano-2-(2-furyl)oxazol-5-yl]piperidine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-[4-cyano-2-(2-furanyl)-5-oxazolyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-[4-cyano-2-(2-furyl)oxazol-5-yl]isonipecotamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C22H21N5O4S/c23-12-16-22(31-21(26-16)17-5-3-11-30-17)27-9-7-14(8-10-27)20(29)25-15-4-1-2-6-18(15)32-13-19(24)28/h1-6,11,14H,7-10,13H2,(H2,24,28)(H,25,29)